4-[[4-(4-chloranyl-2-nitro-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-chloranyl-2-nitro-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-chloro-2-nitro-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-chloro-2-nitrophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-chloro-2-nitro-benzoyl)piperazino]methyl]benzonitrile Formula: C19H17ClN4O3 MolecularWeight: 384.81628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN4O3/c20-16-5-6-17(18(11-16)24(26)27)19(25)23-9-7-22(8-10-23)13-15-3-1-14(12-21)2-4-15/h1-6,11H,7-10,13H2